Semi-empirical SCF-MO calculations for the structural and electronic properties of single-wall InP nanotubes

Date

2004-05-14

Author

Erkoç, Şakir

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The structural and electronic properties of armchair and zigzag models of single-wall InP nanotubes have been investigated qualitatively by performing semi-empirical self-consistent-field molecular orbital calculations at the level of PM3 method within the RHF formulation. It has been found that these structures are stable and they may be used as conducting nanowires in nanodevice and optoelectronic applications.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/57712

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/j.theochem.2004.03.013

Collections

Department of Physics, Article

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Citation Formats

Ş. Erkoç, “Semi-empirical SCF-MO calculations for the structural and electronic properties of single-wall InP nanotubes,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 109–113, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57712.